FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: 16KRZ
Calculation Name: 2YN7-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2YN7
Chain ID: A
UniProt ID: O50955
Base Structure: X-ray
Registration Date: 2025-07-10
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 431 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -2708997.924418 |
|---|---|
| FMO2-HF: Nuclear repulsion | 2619393.90277 |
| FMO2-HF: Total energy | -89604.021648 |
| FMO2-MP2: Total energy | -89864.056859 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:193:SER)
Summations of interaction energy for
fragment #1(A:193:SER)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| 6.224 | 3.951 | 0.077 | 3.862 | -1.667 | 0.007 |
Interaction energy analysis for fragmet #1(A:193:SER)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 194 | LYS | 1 | 0.899 | 1.081 | 4.277 | -1.460 | -1.097 | 0.001 | -0.189 | -0.175 | 0.000 |
| 5 | A | 195 | LEU | 0 | 0.084 | -0.070 | 3.374 | -1.770 | -0.208 | 0.032 | -0.699 | -0.896 | 0.005 |
| 6 | A | 195 | LEU | 0 | -0.104 | 0.111 | 3.981 | -0.097 | 0.045 | 0.000 | -0.050 | -0.093 | 0.000 |
| 7 | A | 196 | GLN | 0 | 0.108 | -0.116 | 2.780 | 3.368 | 1.572 | -0.020 | 1.876 | -0.060 | 0.000 |
| 8 | A | 196 | GLN | 0 | -0.063 | 0.110 | 2.714 | 3.152 | 0.152 | 0.065 | 3.168 | -0.232 | 0.002 |
| 9 | A | 197 | THR | 0 | 0.029 | -0.069 | 4.215 | 0.580 | 0.735 | 0.000 | -0.056 | -0.099 | 0.000 |
| 10 | A | 197 | THR | 0 | -0.047 | 0.067 | 3.734 | 0.268 | 0.569 | -0.001 | -0.188 | -0.112 | 0.000 |
| 11 | A | 198 | LEU | 0 | 0.133 | -0.064 | 5.988 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 198 | LEU | 0 | -0.129 | 0.084 | 7.813 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 199 | LYS | 0 | 0.142 | -0.092 | 7.590 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 199 | LYS | 1 | 0.766 | 1.011 | 7.856 | 1.664 | 1.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 200 | ASN | 0 | 0.078 | -0.051 | 8.253 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 200 | ASN | 0 | -0.108 | 0.044 | 8.087 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 201 | GLU | 0 | 0.175 | -0.092 | 9.906 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 201 | GLU | -1 | -1.017 | -0.827 | 10.522 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 202 | LEU | 0 | 0.078 | -0.100 | 11.854 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 202 | LEU | 0 | -0.111 | 0.106 | 12.960 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 203 | ILE | 0 | 0.131 | -0.086 | 12.878 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 203 | ILE | 0 | -0.082 | 0.091 | 11.569 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 204 | ARG | 0 | 0.068 | -0.105 | 14.125 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 204 | ARG | 1 | 0.779 | 0.995 | 13.505 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 205 | ALA | 0 | 0.131 | -0.056 | 15.823 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 205 | ALA | 0 | -0.105 | 0.093 | 16.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 206 | ILE | 0 | 0.036 | -0.108 | 17.552 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 206 | ILE | 0 | -0.110 | 0.091 | 17.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 207 | SER | 0 | 0.113 | -0.074 | 18.694 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 207 | SER | 0 | -0.064 | 0.052 | 18.005 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 208 | GLU | 0 | 0.094 | -0.093 | 19.969 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 208 | GLU | -1 | -0.921 | -0.798 | 18.172 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 209 | GLU | 0 | 0.038 | -0.128 | 21.863 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 209 | GLU | -1 | -0.866 | -0.791 | 22.154 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 210 | LYS | 0 | 0.110 | -0.061 | 23.231 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 210 | LYS | 1 | 0.793 | 1.023 | 22.213 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 211 | ASN | 0 | 0.112 | -0.055 | 24.396 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 211 | ASN | 0 | -0.127 | 0.053 | 22.733 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 212 | LYS | 0 | 0.105 | -0.067 | 26.111 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 212 | LYS | 1 | 0.721 | 0.985 | 24.718 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 213 | THR | 0 | 0.008 | -0.084 | 28.049 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 213 | THR | 0 | -0.035 | 0.069 | 28.124 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 214 | GLN | 0 | 0.091 | -0.082 | 29.731 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 214 | GLN | 0 | -0.159 | 0.044 | 27.424 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 215 | ASN | 0 | 0.128 | -0.037 | 30.278 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 215 | ASN | 0 | -0.139 | 0.048 | 29.521 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 216 | ASN | 0 | 0.120 | -0.028 | 31.591 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 216 | ASN | 0 | -0.126 | 0.033 | 35.109 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 217 | PHE | 0 | 0.037 | -0.115 | 34.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 217 | PHE | 0 | -0.121 | 0.079 | 32.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 218 | GLY | 0 | 0.030 | -0.112 | 35.585 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 219 | PHE | 0 | 0.098 | 0.013 | 38.416 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 219 | PHE | 0 | -0.080 | 0.111 | 38.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 220 | ARG | 0 | 0.060 | -0.117 | 39.750 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 220 | ARG | 1 | 0.785 | 1.034 | 43.688 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 221 | GLU | 0 | 0.145 | -0.086 | 43.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 221 | GLU | -1 | -0.889 | -0.734 | 43.845 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 222 | THR | 0 | 0.052 | -0.050 | 44.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 222 | THR | 0 | -0.050 | 0.069 | 47.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 223 | TYR | 0 | 0.057 | -0.102 | 48.145 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 223 | TYR | 0 | -0.122 | 0.037 | 52.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 224 | ASP | 0 | 0.032 | -0.111 | 51.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 224 | ASP | -1 | -0.820 | -0.783 | 51.222 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 225 | GLN | 0 | 0.026 | -0.087 | 47.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 225 | GLN | 0 | -0.079 | 0.063 | 47.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 226 | PHE | 0 | 0.102 | -0.078 | 46.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 226 | PHE | 0 | -0.080 | 0.075 | 43.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 227 | LYS | 0 | 0.147 | -0.093 | 48.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 227 | LYS | 1 | 0.807 | 1.047 | 50.981 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 228 | MET | 0 | 0.044 | -0.118 | 48.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 228 | MET | 0 | -0.157 | 0.083 | 44.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 229 | LYS | 0 | 0.159 | -0.068 | 50.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 229 | LYS | 1 | 0.714 | 0.986 | 51.254 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 230 | ASP | 0 | 0.058 | -0.064 | 51.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 230 | ASP | -1 | -0.926 | -0.820 | 55.774 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 231 | SER | 0 | 0.129 | -0.061 | 52.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 231 | SER | 0 | -0.051 | 0.047 | 52.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 232 | ALA | 0 | 0.125 | -0.078 | 48.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 232 | ALA | 0 | -0.075 | 0.079 | 47.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 233 | PHE | 0 | -0.033 | -0.121 | 47.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 233 | PHE | 0 | -0.073 | 0.088 | 43.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 234 | GLU | 0 | 0.180 | -0.105 | 48.616 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 234 | GLU | -1 | -0.940 | -0.783 | 53.275 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 235 | LEU | 0 | -0.006 | -0.107 | 50.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 235 | LEU | 0 | -0.142 | 0.083 | 50.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 236 | LEU | 0 | 0.017 | -0.158 | 47.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 236 | LEU | 0 | -0.026 | 0.112 | 44.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 237 | ASP | 0 | 0.081 | -0.088 | 47.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 237 | ASP | -1 | -0.940 | -0.821 | 47.635 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 238 | VAL | 0 | 0.079 | -0.095 | 43.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 238 | VAL | 0 | -0.172 | 0.086 | 41.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 239 | ILE | 0 | 0.136 | -0.080 | 40.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 239 | ILE | 0 | -0.099 | 0.080 | 39.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 240 | SER | 0 | -0.016 | -0.088 | 37.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 240 | SER | 0 | -0.101 | 0.022 | 36.890 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 241 | SER | 0 | 0.009 | -0.117 | 38.801 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 241 | SER | 0 | -0.084 | 0.035 | 41.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 242 | ALA | 0 | 0.114 | -0.031 | 39.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 242 | ALA | 0 | -0.075 | 0.076 | 38.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 243 | LYS | 0 | 0.138 | -0.080 | 37.664 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 243 | LYS | 1 | 0.834 | 1.045 | 34.283 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 244 | VAL | 0 | -0.005 | -0.090 | 39.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 244 | VAL | 0 | -0.075 | 0.079 | 41.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 245 | TYR | 0 | 0.109 | -0.095 | 42.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 245 | TYR | 0 | -0.129 | 0.087 | 41.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 246 | ASP | 0 | 0.084 | -0.111 | 44.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 246 | ASP | -1 | -0.934 | -0.855 | 47.130 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 247 | ARG | 0 | 0.143 | -0.028 | 46.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 247 | ARG | 1 | 0.841 | 1.051 | 43.413 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 248 | SER | 0 | 0.074 | -0.095 | 46.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 248 | SER | 0 | -0.016 | 0.076 | 51.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 249 | TYR | 0 | -0.073 | -0.104 | 48.658 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 249 | TYR | 0 | -0.114 | 0.066 | 47.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 250 | ALA | 0 | 0.144 | -0.095 | 46.040 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 250 | ALA | 0 | -0.096 | 0.106 | 45.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 251 | PRO | 0 | -0.022 | -0.106 | 45.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 252 | GLN | 0 | 0.236 | 0.050 | 47.486 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 252 | GLN | 0 | -0.118 | 0.095 | 50.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 253 | LEU | 0 | 0.124 | -0.100 | 46.172 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 253 | LEU | 0 | -0.152 | 0.113 | 43.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 254 | ASN | 0 | 0.137 | -0.072 | 46.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 254 | ASN | 0 | -0.066 | 0.089 | 50.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 255 | SER | 0 | 0.013 | -0.068 | 49.214 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 255 | SER | 0 | -0.073 | 0.052 | 48.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 256 | ASN | 0 | 0.028 | -0.050 | 48.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 256 | ASN | 0 | -0.116 | 0.049 | 50.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 257 | THR | 0 | 0.014 | -0.120 | 47.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 257 | THR | 0 | 0.008 | 0.105 | 47.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 258 | PRO | 0 | 0.035 | -0.099 | 43.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 259 | GLU | 0 | 0.077 | -0.016 | 41.648 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 259 | GLU | -1 | -0.935 | -0.817 | 42.319 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 260 | ALA | 0 | 0.128 | -0.123 | 41.952 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 260 | ALA | 0 | -0.084 | 0.123 | 45.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 261 | GLU | 0 | 0.083 | -0.088 | 43.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 261 | GLU | -1 | -0.935 | -0.808 | 42.327 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 262 | ASN | 0 | 0.055 | -0.077 | 39.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 262 | ASN | 0 | -0.101 | 0.055 | 36.016 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 263 | GLU | 0 | 0.068 | -0.126 | 38.294 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 263 | GLU | -1 | -0.794 | -0.725 | 39.149 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 264 | ARG | 0 | 0.096 | -0.103 | 39.638 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 264 | ARG | 1 | 0.730 | 0.973 | 43.058 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 265 | ASN | 0 | 0.071 | -0.075 | 38.618 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 265 | ASN | 0 | -0.147 | 0.033 | 37.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 266 | LYS | 0 | 0.100 | -0.100 | 35.640 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 266 | LYS | 1 | 0.788 | 1.019 | 33.420 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 267 | PHE | 0 | 0.147 | -0.063 | 36.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 267 | PHE | 0 | -0.087 | 0.086 | 40.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 268 | TYR | 0 | -0.015 | -0.125 | 38.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 268 | TYR | 0 | -0.072 | 0.044 | 38.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 269 | ALA | 0 | 0.118 | -0.060 | 34.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 269 | ALA | 0 | -0.042 | 0.107 | 33.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 270 | LEU | 0 | 0.022 | -0.114 | 33.739 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 270 | LEU | 0 | -0.096 | 0.102 | 34.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 271 | MET | 0 | -0.044 | -0.118 | 35.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 271 | MET | 0 | -0.100 | 0.091 | 38.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 272 | ASP | 0 | 0.069 | -0.046 | 33.590 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 272 | ASP | -1 | -0.965 | -0.853 | 31.930 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 273 | PHE | 0 | 0.050 | -0.118 | 34.421 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 273 | PHE | 0 | -0.116 | 0.074 | 32.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 274 | ASP | 0 | 0.172 | -0.122 | 36.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 274 | ASP | -1 | -0.955 | -0.818 | 37.469 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 275 | GLN | 0 | 0.094 | -0.067 | 38.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 275 | GLN | 0 | -0.102 | 0.076 | 42.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 276 | TYR | 0 | 0.132 | -0.097 | 42.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 276 | TYR | 0 | -0.114 | 0.081 | 43.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 277 | LYS | 0 | 0.172 | -0.053 | 41.094 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 277 | LYS | 1 | 0.734 | 1.001 | 37.031 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 278 | ILE | 0 | 0.067 | -0.099 | 42.188 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 278 | ILE | 0 | -0.113 | 0.098 | 39.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 279 | GLU | 0 | 0.045 | -0.098 | 43.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 279 | GLU | -1 | -0.918 | -0.817 | 46.503 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 280 | GLN | 0 | 0.114 | -0.069 | 45.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 280 | GLN | 0 | -0.054 | 0.083 | 45.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 281 | PHE | 0 | 0.073 | -0.098 | 44.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 281 | PHE | 0 | -0.083 | 0.066 | 43.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 282 | GLY | 0 | -0.017 | -0.128 | 46.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 283 | SER | 0 | 0.055 | 0.012 | 48.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 283 | SER | 0 | -0.034 | 0.098 | 49.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 284 | ILE | 0 | 0.106 | -0.075 | 49.996 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 284 | ILE | 0 | -0.137 | 0.063 | 47.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 285 | MET | 0 | -0.040 | -0.128 | 49.887 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 285 | MET | 0 | -0.044 | 0.100 | 47.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 286 | GLU | 0 | 0.129 | -0.106 | 50.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 286 | GLU | -1 | -1.001 | -0.850 | 53.289 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 287 | ALA | 0 | 0.078 | -0.086 | 54.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 287 | ALA | 0 | -0.093 | 0.092 | 54.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 288 | LEU | 0 | 0.015 | -0.122 | 53.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 288 | LEU | 0 | -0.103 | 0.068 | 51.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 289 | TYR | 0 | 0.082 | -0.095 | 54.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 289 | TYR | 0 | -0.087 | 0.079 | 54.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 290 | ASN | 0 | 0.048 | -0.053 | 56.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 290 | ASN | 0 | -0.150 | 0.046 | 59.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 291 | GLU | 0 | 0.106 | -0.108 | 59.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 291 | GLU | -1 | -1.017 | -0.848 | 59.601 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 292 | ASN | 0 | 0.187 | -0.042 | 58.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 292 | ASN | 0 | -0.081 | 0.072 | 59.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 293 | GLN | 0 | 0.088 | -0.094 | 58.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 293 | GLN | 0 | -0.102 | 0.092 | 59.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 294 | ASN | 0 | 0.019 | -0.153 | 55.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 294 | ASN | 0 | -0.128 | 0.074 | 54.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 295 | HIS | 0 | 0.107 | -0.090 | 53.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 295 | HIS | 0 | -0.089 | 0.106 | 54.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 296 | SER | 0 | 0.065 | -0.069 | 52.033 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 296 | SER | 0 | -0.036 | 0.049 | 52.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 297 | LEU | 0 | 0.071 | -0.055 | 50.126 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 297 | LEU | 0 | -0.086 | 0.088 | 48.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 298 | ILE | 0 | 0.099 | -0.109 | 48.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 298 | ILE | 0 | -0.068 | 0.138 | 49.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 299 | ARG | 0 | 0.151 | -0.069 | 47.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 299 | ARG | 1 | 0.778 | 1.011 | 47.900 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 300 | GLU | 0 | 0.089 | -0.095 | 46.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 300 | GLU | -1 | -0.975 | -0.816 | 44.691 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 301 | LEU | 0 | 0.000 | -0.148 | 44.322 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 301 | LEU | 0 | -0.064 | 0.104 | 45.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 302 | MET | 0 | 0.111 | -0.106 | 42.950 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 302 | MET | 0 | -0.066 | 0.135 | 43.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 303 | ILE | 0 | 0.066 | -0.086 | 41.925 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 303 | ILE | 0 | -0.089 | 0.094 | 41.713 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 304 | SER | 0 | -0.012 | -0.097 | 39.930 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 304 | SER | 0 | -0.043 | 0.092 | 40.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 305 | GLY | 0 | 0.055 | -0.076 | 38.149 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 306 | LEU | 0 | 0.148 | -0.001 | 37.093 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 306 | LEU | 0 | -0.074 | 0.141 | 38.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 307 | GLY | 0 | -0.044 | -0.136 | 36.750 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 308 | THR | 0 | 0.019 | -0.011 | 34.270 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 308 | THR | 0 | -0.058 | 0.054 | 33.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 309 | GLN | 0 | 0.086 | -0.104 | 32.506 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 309 | GLN | 0 | -0.070 | 0.112 | 30.847 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 310 | ILE | 0 | 0.088 | -0.093 | 31.954 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 310 | ILE | 0 | -0.076 | 0.106 | 34.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 311 | SER | 0 | -0.032 | -0.123 | 31.449 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 311 | SER | 0 | -0.037 | 0.066 | 31.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 312 | PHE | 0 | 0.110 | -0.048 | 28.387 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 312 | PHE | 0 | -0.089 | 0.086 | 26.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 313 | GLU | 0 | 0.067 | -0.149 | 27.174 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 313 | GLU | -1 | -0.856 | -0.756 | 29.418 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 314 | LEU | 0 | 0.025 | -0.116 | 27.314 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 314 | LEU | 0 | -0.065 | 0.111 | 29.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 315 | ALA | 0 | 0.115 | -0.093 | 25.829 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 315 | ALA | 0 | -0.065 | 0.102 | 25.370 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 316 | LEU | 0 | 0.025 | -0.118 | 22.786 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 316 | LEU | 0 | -0.078 | 0.111 | 22.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 317 | GLU | 0 | 0.094 | -0.103 | 22.083 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 317 | GLU | -1 | -0.947 | -0.822 | 24.750 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 318 | GLU | 0 | 0.064 | -0.119 | 22.945 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 318 | GLU | -1 | -0.903 | -0.798 | 23.900 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 319 | ILE | 0 | 0.032 | -0.138 | 20.174 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 319 | ILE | 0 | -0.071 | 0.101 | 18.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 320 | ASN | 0 | 0.079 | -0.085 | 18.309 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 320 | ASN | 0 | -0.084 | 0.090 | 18.815 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 321 | LYS | 0 | 0.086 | -0.120 | 18.282 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 321 | LYS | 1 | 0.827 | 1.045 | 22.197 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 322 | LYS | 0 | 0.036 | -0.095 | 18.974 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 322 | LYS | 1 | 0.746 | 1.012 | 18.720 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 323 | ILE | 0 | 0.074 | -0.091 | 14.786 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 323 | ILE | 0 | -0.077 | 0.090 | 12.938 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 324 | GLU | 0 | 0.067 | -0.113 | 14.458 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 324 | GLU | -1 | -1.011 | -0.829 | 17.141 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 325 | ILE | 0 | 0.084 | -0.106 | 16.311 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 325 | ILE | 0 | -0.081 | 0.096 | 19.070 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 326 | PHE | 0 | 0.054 | -0.089 | 15.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 326 | PHE | 0 | -0.054 | 0.081 | 14.338 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 327 | ASN | 0 | 0.184 | -0.045 | 11.901 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 327 | ASN | 0 | -0.097 | 0.069 | 10.607 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 328 | GLN | 0 | 0.065 | -0.107 | 12.837 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 328 | GLN | 0 | -0.032 | 0.120 | 16.703 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 329 | ASP | 0 | 0.128 | -0.068 | 15.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 329 | ASP | -1 | -0.937 | -0.810 | 16.285 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 330 | TYR | 0 | 0.104 | -0.081 | 11.644 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 330 | TYR | 0 | -0.133 | 0.052 | 6.889 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 331 | LEU | 0 | -0.008 | -0.112 | 12.540 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 331 | LEU | 0 | -0.092 | 0.081 | 10.998 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 332 | ASN | 0 | 0.006 | -0.080 | 13.313 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 332 | ASN | 0 | -0.177 | 0.013 | 17.281 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 333 | ALA | 0 | 0.145 | -0.079 | 14.648 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 333 | ALA | 0 | -0.126 | 0.094 | 15.142 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 334 | LYS | 0 | 0.119 | -0.134 | 15.622 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 334 | LYS | 1 | 0.781 | 1.017 | 17.851 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 335 | ILE | 0 | -0.003 | -0.068 | 15.425 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 335 | ILE | 0 | -0.129 | 0.062 | 13.425 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 336 | ASN | 0 | 0.194 | -0.011 | 12.605 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 336 | ASN | 0 | -0.068 | 0.075 | 12.924 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 337 | SER | 0 | 0.119 | -0.080 | 8.438 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 337 | SER | 0 | -0.030 | 0.065 | 7.689 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 338 | PHE | 0 | 0.095 | -0.059 | 9.617 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 338 | PHE | 0 | -0.061 | 0.096 | 12.114 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 339 | ASP | 0 | 0.032 | -0.145 | 11.772 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 339 | ASP | -1 | -0.887 | -0.823 | 14.281 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 340 | PHE | 0 | 0.081 | -0.069 | 10.842 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 340 | PHE | 0 | -0.033 | 0.130 | 9.077 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 341 | THR | 0 | 0.040 | -0.089 | 10.259 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 341 | THR | 0 | -0.104 | 0.009 | 8.960 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 342 | MET | 0 | 0.079 | -0.089 | 10.903 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 342 | MET | 0 | -0.058 | 0.138 | 14.341 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 343 | LYS | 0 | 0.112 | -0.079 | 14.656 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 343 | LYS | 1 | 0.853 | 1.072 | 14.457 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 344 | LEU | 0 | 0.054 | -0.103 | 11.954 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 344 | LEU | 0 | -0.082 | 0.098 | 9.629 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 345 | LYS | 0 | 0.184 | -0.047 | 13.464 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 345 | LYS | 1 | 0.760 | 1.011 | 12.911 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 346 | GLU | 0 | 0.065 | -0.161 | 14.788 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 346 | GLU | -1 | -0.976 | -0.814 | 18.366 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 347 | LEU | 0 | 0.046 | -0.106 | 17.140 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 347 | LEU | 0 | -0.082 | 0.107 | 15.680 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 348 | LYS | 0 | 0.130 | -0.063 | 15.874 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 348 | LYS | 1 | 0.770 | 1.003 | 13.751 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 349 | SER | 0 | 0.020 | -0.087 | 17.185 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 349 | SER | 0 | -0.051 | 0.052 | 19.309 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 350 | LYS | 0 | 0.111 | -0.071 | 20.047 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 350 | LYS | 1 | 0.768 | 1.042 | 21.617 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 351 | LEU | 0 | 0.134 | -0.098 | 20.285 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 351 | LEU | 0 | -0.092 | 0.097 | 18.540 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 352 | ASN | 0 | 0.048 | -0.089 | 21.067 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 352 | ASN | 0 | -0.104 | 0.054 | 18.914 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 353 | GLN | 0 | 0.170 | -0.070 | 22.541 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 353 | GLN | 0 | -0.126 | 0.091 | 25.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 354 | ILE | 0 | 0.038 | -0.116 | 25.231 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 354 | ILE | 0 | -0.080 | 0.117 | 24.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 355 | LEU | 0 | 0.105 | -0.066 | 25.081 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 355 | LEU | 0 | -0.093 | 0.093 | 22.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 356 | ASP | 0 | 0.120 | -0.106 | 26.404 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 356 | ASP | -1 | -0.933 | -0.784 | 26.257 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 357 | LYS | 0 | -0.012 | -0.150 | 28.240 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 357 | LYS | 1 | 0.826 | 1.057 | 29.886 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 358 | ARG | 0 | 0.187 | -0.073 | 30.018 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 358 | ARG | 1 | 0.702 | 0.966 | 29.466 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 359 | LYS | 0 | 0.075 | -0.073 | 30.519 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 359 | LYS | 1 | 0.678 | 0.947 | 26.396 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 360 | GLU | 0 | 0.061 | -0.104 | 31.917 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 360 | GLU | -1 | -0.919 | -0.810 | 33.097 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 361 | TRP | 0 | 0.102 | -0.108 | 34.197 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 361 | TRP | 0 | -0.073 | 0.088 | 35.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 362 | SER | 0 | 0.062 | -0.058 | 35.187 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 362 | SER | 0 | -0.015 | 0.082 | 34.646 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 363 | ARG | 0 | 0.064 | -0.107 | 36.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 363 | ARG | 1 | 0.849 | 1.027 | 30.419 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 364 | GLN | 0 | 0.034 | -0.072 | 37.636 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 364 | GLN | 0 | -0.096 | 0.084 | 38.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 365 | ALA | 0 | 0.108 | -0.100 | 39.791 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 365 | ALA | 0 | -0.072 | 0.110 | 39.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 366 | ASP | 0 | 0.057 | -0.102 | 39.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 366 | ASP | -1 | -0.945 | -0.827 | 37.929 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 367 | GLY | 0 | -0.017 | -0.110 | 41.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 368 | LEU | 0 | 0.088 | -0.009 | 43.505 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 368 | LEU | 0 | -0.093 | 0.102 | 44.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 369 | ILE | 0 | 0.089 | -0.086 | 44.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 369 | ILE | 0 | -0.074 | 0.106 | 42.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 370 | ALA | 0 | 0.167 | -0.061 | 45.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 370 | ALA | 0 | -0.102 | 0.088 | 44.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 371 | ASN | 0 | -0.023 | -0.097 | 46.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 371 | ASN | 0 | -0.149 | 0.036 | 48.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 372 | ALA | 0 | 0.123 | -0.086 | 49.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 372 | ALA | 0 | -0.089 | 0.093 | 50.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 373 | SER | 0 | 0.013 | -0.100 | 49.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 373 | SER | 0 | -0.017 | 0.063 | 48.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 374 | SER | 0 | 0.013 | -0.066 | 50.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 374 | SER | 0 | -0.061 | 0.056 | 52.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 375 | ASN | 0 | 0.064 | -0.079 | 53.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 375 | ASN | 0 | -0.061 | 0.066 | 54.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 376 | SER | 0 | 0.076 | -0.024 | 54.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 376 | SER | 0 | 0.005 | 0.092 | 53.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 377 | SER | 0 | 0.079 | -0.082 | 55.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 377 | SER | 0 | -0.036 | 0.071 | 57.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 378 | LEU | 0 | 0.002 | -0.118 | 58.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 378 | LEU | 0 | -0.095 | 0.091 | 59.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 379 | SER | 0 | -0.009 | -0.093 | 58.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 379 | SER | 0 | -0.071 | 0.055 | 57.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 380 | ASP | 0 | 0.150 | -0.052 | 59.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 380 | ASP | -1 | -0.907 | -0.801 | 61.038 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 381 | SER | 0 | 0.081 | -0.048 | 58.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 381 | SER | 0 | 0.010 | 0.101 | 58.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 382 | LYS | 0 | 0.196 | -0.059 | 57.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 382 | LYS | 1 | 0.775 | 1.035 | 59.250 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 383 | SER | 0 | -0.023 | -0.147 | 57.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 383 | SER | 0 | -0.055 | 0.040 | 58.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 384 | LEU | 0 | 0.089 | -0.094 | 54.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 384 | LEU | 0 | -0.064 | 0.141 | 52.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 385 | ALA | 0 | 0.117 | -0.106 | 53.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 385 | ALA | 0 | -0.054 | 0.132 | 54.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 386 | GLU | 0 | 0.008 | -0.130 | 52.568 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 386 | GLU | -1 | -0.904 | -0.804 | 55.648 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 387 | TYR | 0 | 0.114 | -0.087 | 52.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 387 | TYR | 0 | -0.064 | 0.114 | 48.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 388 | ILE | 0 | 0.080 | -0.103 | 48.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 388 | ILE | 0 | -0.053 | 0.119 | 47.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 389 | LYS | 0 | 0.090 | -0.102 | 47.927 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 389 | LYS | 1 | 0.776 | 1.009 | 50.842 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 390 | LYS | 0 | 0.115 | -0.058 | 48.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | LYS | 1 | 0.717 | 1.003 | 50.980 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | ARG | 0 | -0.118 | -0.226 | 46.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | ARG | 1 | 0.869 | 1.075 | 46.739 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | TYR | 0 | 0.102 | -0.046 | 43.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 392 | TYR | 0 | -0.071 | 0.093 | 43.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 393 | LEU | 0 | 0.171 | -0.053 | 43.261 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 393 | LEU | 0 | -0.098 | 0.102 | 44.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 394 | ASP | 0 | 0.136 | -0.135 | 43.159 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 394 | ASP | -1 | -0.975 | -0.823 | 43.254 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 395 | ASN | 0 | 0.084 | -0.071 | 39.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 395 | ASN | 0 | -0.135 | 0.059 | 39.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 396 | MET | 0 | 0.062 | -0.108 | 38.531 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 396 | MET | 0 | -0.120 | 0.112 | 40.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 397 | GLN | 0 | 0.113 | -0.120 | 38.742 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 397 | GLN | 0 | -0.093 | 0.078 | 41.689 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 398 | ASN | 0 | 0.053 | -0.078 | 37.979 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 398 | ASN | 0 | -0.163 | 0.037 | 37.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 399 | ALA | 0 | 0.101 | -0.106 | 34.517 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 399 | ALA | 0 | -0.053 | 0.127 | 34.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 400 | ARG | 0 | 0.124 | -0.087 | 33.977 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 400 | ARG | 1 | 0.840 | 1.081 | 36.552 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 401 | GLN | 0 | 0.076 | -0.136 | 34.753 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 401 | GLN | 0 | -0.117 | 0.091 | 36.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 402 | SER | 0 | 0.036 | -0.039 | 32.499 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 402 | SER | 0 | -0.014 | 0.052 | 31.450 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 403 | VAL | 0 | 0.055 | -0.084 | 29.835 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 403 | VAL | 0 | -0.058 | 0.126 | 29.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 404 | LEU | 0 | 0.114 | -0.087 | 29.971 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 404 | LEU | 0 | -0.117 | 0.102 | 33.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 405 | GLU | 0 | 0.075 | -0.157 | 31.406 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 405 | GLU | -1 | -0.952 | -0.806 | 31.733 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 406 | ALA | 0 | 0.112 | -0.079 | 27.515 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 406 | ALA | 0 | -0.098 | 0.090 | 26.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 407 | TYR | 0 | 0.091 | -0.089 | 26.675 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 407 | TYR | 0 | -0.077 | 0.079 | 27.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 408 | ILE | 0 | 0.040 | -0.094 | 27.636 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 408 | ILE | 0 | -0.069 | 0.101 | 31.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 409 | SER | 0 | -0.025 | -0.121 | 27.273 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 409 | SER | 0 | -0.070 | 0.048 | 26.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 410 | ILE | 0 | 0.038 | -0.085 | 23.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 410 | ILE | 0 | -0.057 | 0.094 | 21.838 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 411 | MET | 0 | -0.095 | -0.135 | 23.757 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 411 | MET | 0 | 0.068 | 0.073 | 27.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |